Dataset

Ohauamine A CD3OD[3]

This dataset contains NMR spectra obtained for the sample -Ohauamine A CD3OD date: 2023-06-07T05:51:52.000Z isFt: true name: Ohauamine A CD3OD/1 phc0: 10.21589 phc1: 39.34338 type: NMR Spectrum DECIM: 1680 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.1.4 DSPFVS: 20 nucleus: 1H reverse: false solvent: MeOD dimension: 1 increment: 0.5833990321835794 isComplex: true probeName: Z44896_0057 (CP TCI 600S3 H-C/N-D-05 Z) experiment: 1d groupDelay: 68 temperature: 293.0004 spectrumSize: 16384 baseFrequency: 600.17 fieldStrength: 14.095949804745555 numberOfScans: 16 pulseSequence: zg30 spectralWidth: 19.8355670942417 numberOfPoints: 35 relaxationTime: 0.1 acquisitionTime: 0.0014280000000000013 frequencyOffset: 2500.6500000017695 originFrequency: 600.17250065 pulseStrength90: 30339.805825242718 experimentNumber: 1 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2023-06-07T06:16:58.000Z isFt: true name: Ohauamine A CD3OD/2 phc0: 6.840561 phc1: 192.8178 type: NMR Spectrum DECIM: 560 aqMod: 3 isFid: false tdOff: -16 title: Parameter file, TopSpin 4.1.4 DSPFVS: -1 nucleus: 13C reverse: false solvent: MeOD dimension: 1 increment: 11.8316560037408 isComplex: true probeName: Z44896_0057 (CP TCI 600S3 H-C/N-D-05 Z) experiment: 1d groupDelay: 68 temperature: 293.0017 spectrumSize: 32768 baseFrequency: 150.912866534 fieldStrength: 14.092947112083596 numberOfScans: 800 pulseSequence: zg0pg spectralWidth: 236.633120074816 numberOfPoints: 21 relaxationTime: 0.6305881 acquisitionTime: 0.00027999999999999976 frequencyOffset: 13959.360000001197 originFrequency: 150.926825894 pulseStrength90: 17473.1333102222 experimentNumber: 2 linearPredictionBin: 16384 lpNumberOfCoefficients: 8192 windowMultiplicationMode: 1 date: 2023-06-07T06:56:06.000Z isFt: true name: Ohauamine A CD3OD/3 phc0: -238.7592,7.936473 phc1: 2.23826,0 type: NMR Spectrum DECIM: 1680 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 4.1.4 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: MeOD dimension: 2 increment: 3.9671101125514396 isComplex: false probeName: Z44896_0057 (CP TCI 600S3 H-C/N-D-05 Z) experiment: hsqc groupDelay: 68 temperature: 292.9998 spectrumSize: 1024,256 baseFrequency: 600.17,150.912866534 fieldStrength: 14.095949804745555 numberOfScans: 8 pulseSequence: hsqcedetgpsisp.2 spectralWidth: 19.8355505627572,168 numberOfPoints: 6 relaxationTime: 1 acquisitionTime: 0.0002100000000000002 frequencyOffset: 3000.850000034916,11469.377892012744 originFrequency: 600.17300085,150.924335911892 pulseStrength90: 30339.805825242718 experimentNumber: 3 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 4,4 date: 2023-06-07T18:41:45.000Z isFt: true name: Ohauamine A CD3OD/5 phc0: -356.1186,81.78298 phc1: 55.0881,-162.975 type: NMR Spectrum DECIM: 1680 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 4.1.4 DSPFVS: 20 nucleus: 1H,1H reverse: false,false solvent: MeOD dimension: 2 increment: 1.3223700375171465 isComplex: false probeName: Z44896_0057 (CP TCI 600S3 H-C/N-D-05 Z) experiment: noesy groupDelay: 68 temperature: 293.0016 spectrumSize: 1024,256 baseFrequency: 600.17,600.17 fieldStrength: 14.095949804745555 numberOfScans: 20 pulseSequence: noesygpphpp.rak spectralWidth: 19.8355505627572,20 numberOfPoints: 16 relaxationTime: 1 acquisitionTime: 0.0006300000000000006 frequencyOffset: 3000.850000034916,3000.850000034916 originFrequency: 600.17300085,600.17300085 pulseStrength90: 30339.805825242718 experimentNumber: 5 acquisitionScheme: TPPI linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 4,4

Chemical Information

molecular Image
InChI InChI=1S/C12H17N3O4/c1-6(2)4-12-10(18)19-5-7-8(16)13-11(3,15(7)12)9(17)14-12/h6-7H,4-5H2,1-3H3,(H,13,16)(H,14,17)/t7-,11+,12+/m0/s1
SMILES CC(C)C[C@]12NC(=O)[C@]3(C)NC(=O)[C@H](COC1=O)N32
InChI Key CCZTUCNMFPMPRB-UPZJHPNMSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p87.s738.d3661
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D3661
Version
Author
Maintainer
Language english
MetadataPublished 2024-12-19T01:06:40.000000Z
Related Molecule
  • nfdi4chem-mol1889 (Unknown Molecule)
  • nfdi4chem-mol6856 (Unknown Molecule)
    • Field Value
    Measurement Technique heteronuclear single quantum coherence
    Measurement Variables
    NMR solvent : MeOD

    acquisition nucleus : ['1H', '13C']

    NMR spectrum by dimensionality : 2

    NMR probe : Z44896_0057 (CP TCI 600S3 H-C/N-D-05 Z)

    Temperature : 292.9998 K

    magnetic field strength : 14.095949804745555 Tesla

    number of scans : 8 scans

    nuclear magnetic resonance pulse sequence : hsqcedetgpsisp.2

    Spectral Width : [19.8355505627572, 168]

    number of data points : 6 points

    relaxation time measurement : 1 seconds

    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.